SCHEMBL2807646

SCHEMBL2807646

CC(=O)O[C@@H]1CC[C@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.39
CHRM1 P11229 5/20 0.39
CHRM4 P08173 4/20 0.39
CHRM3 P20309 4/20 0.39
CHRM5 P08912 2/20 0.39
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7343114 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL1412253 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL18605578 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL6060648 0.88 CHRM2 (0.35) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL2327031 0.87 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL5176012 0.87 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL2327034 0.87 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL2329374 0.87 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL5175556 0.87 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL2327041 0.87 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3CHRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 WO disclosed
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP disclosed
US-6436947-B1 TO PREVENT ALLOGRAFT REJECTION; AUTOIMMUNE DISEASES DUE TO ACTION OF T-CELLS AS INSULIN-DEPENDENT DIABETES, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS; SUPPRESSION OF HUMORAL IMMUNE RESPONSE IN TREATMENT OF MYESTHENIAGRAVIS, LUPUS ERYTHEMATOSUS AVENTIS PHARMACEUTICALS INC. 2002-08-20 US disclosed
EP-0545413-B1 Trans cyclopentanyl purine analogs useful as immunosuppressants AVENTIS PHARMA INC (US) 2000-07-12 EP disclosed
US-5929079-A TREATMENT OF MYESTHENIAGRAVIS, MULTIPLE SCLEROSIS, SYSTEMIC LUPUS ERYTHEMATOSUS HOECHST MARION ROUSSEL, INC. (US) 1999-07-27 US disclosed
US-5916892-A ADMINISTERING TO THE PATIENT SUFFERING OF ALLOGRAFT REJECTION, AUTOIMMUNE DISEASE, INSULIN-DEPENDENT DIABETIC MELLITUS, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, MYESTHENIA GRAVIS, LUPUS ERYTHEMATOSUS AND SEPTIC SHOCK SYNDROME HOECHST MARION ROUSSEL, INC. (US) 1999-06-29 US disclosed
US-5905085-A ANTIGENS AND IMMUNOSUPPRESSANTS HOECHST MARION ROUSSEL, INC. (US) 1999-05-18 US disclosed
US-5817660-A TRIAZOLOPYRIMIDINES HOECHST MARION ROUSSEL, INC. (US) 1998-10-06 US disclosed
US-5817672-A IMIDAZOPYRIDINES HOECHST MARION ROUSSEL, INC. (US) 1998-10-06 US disclosed
US-5817661-A Trans cyclopentanyl purine analogs useful as immunosuppressants HOECHST MARION ROUSSEL, INC. (US) 1998-10-06 US disclosed
US-5808112-A Preparation of cis-4-O-protected-2-cyclopentenol derivatives HOECHST MARION ROUSSEL INC. (US) 1998-09-15 US disclosed
US-5728899-A Preparation of cis-4-O-protected-2-cyclopentenol derivatives HOECHST MARION ROUSSEL INC. (US) 1998-03-17 US disclosed
US-5723466-A AUTOIMMUNE DISEASES, ANTIARTHRITIC AGENTS AND IMMUNOSUPPRESSANTS HOECHST MARION ROUSSEL, INC. (US) 1998-03-03 US disclosed
EP-0817764-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-01-14 EP disclosed
WO-1996031476-A1 AROMATIC HYDROXYETHERS RHONE-POULENC RORER LIMITED (GB) 1996-10-10 WO disclosed
WO-1996030320-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1996-10-03 WO disclosed
EP-0545413-A1 Novel trans cyclopentanyl purine analogs useful as immunosuppressants HOECHST MARION ROUSSEL, INC. (US) 1993-06-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 CHRM2 39/4885CHRM1 26/4885CHRM4 123/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.